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(2S,2'S,3S)-3-Isopropyl-6-methyl-2-(2'-methyl-3'-oxobutyl)-5-cyclohexen-1-one
SpectraBase Compound ID L8Zk0y5KG2y
InChI InChI=1S/C15H24O2/c1-9(2)13-7-6-10(3)15(17)14(13)8-11(4)12(5)16/h6,9,11,13-14H,7-8H2,1-5H3/t11-,13-,14-/m0/s1
InChIKey QOHBQKRYTXKFSR-UBHSHLNASA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42015nu6BrH
Name (2S,2'S,3S)-3-Isopropyl-6-methyl-2-(2'-methyl-3'-oxobutyl)-5-cyclohexen-1-one
Alternate Name(s) (2S,2'S,3S)-3-Isopropenyl-6-methyl-2-(2'-methyl-3'-oxobutyl)-5-cyclohexen-1-one (5S,6S)-5-isopropyl-2-methyl-6-[(2S)-2-methyl-3-oxobutyl]-2-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-9(2)13-7-6-10(3)15(17)14(13)8-11(4)12(5)16/h6,9,11,13-14H,7-8H2,1-5H3/t11-,13-,14-/m0/s1
InChIKey QOHBQKRYTXKFSR-UBHSHLNASA-N
Molecular Weight 236.355 g/mol
SMILES [C@@]1(C(C(C)=CC[C@]1(C(C)C)[H])=O)(C[C@@](C(=O)C)(C)[H])[H]
SPLASH splash10-0a4i-0900000000-24a0b97f26f9ee00f5c5
Source of Spectrum F-54-5629-10
Wiley ID 806939